CID 19853205

4-(hydrazinylmethyl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=CC=C1CNN)C(=O)O
InChI
InChI=1S/C8H10N2O2/c9-10-5-6-1-3-7(4-2-6)8(11)12/h1-4,10H,5,9H2,(H,11,12)
InChIKey
HFBSYGDBSGZDKT-UHFFFAOYSA-N
Compound name
4-(hydrazinylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

166.07423 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.3
[M+Na]+ 189.06345 139.8
[M-H]- 165.06695 135.4
[M+NH4]+ 184.10805 152.2
[M+K]+ 205.03739 137.7
[M+H-H2O]+ 149.07149 127.2
[M+HCOO]- 211.07243 157.7
[M+CH3COO]- 225.08808 180.2
[M+Na-2H]- 187.04890 139.0
[M]+ 166.07368 130.3
[M]- 166.07478 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe